1-dodecylpyridin-1-ium; methylbenzene; sulfate

Systemtic Name: 1-dodecylpyridin-1-ium; methylbenzene; sulfate Openeye Name: 1-dodecylpyridin-1-ium; toluene; sulfate CAS Name: 1-dodecylpyridin-1-ium; toluene; sulfate IUPAC Name: 1-dodecylpyridin-1-ium; toluene; sulfate Traditional Name: 1-laurylpyridin-1-ium; toluene; sulfate Formula: C41H68N2O4S MolecularWeight: 685.05462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCC[N+]1=CC=CC=C1.CC1=CC=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCC[N+]1=CC=CC=C1.CC1=CC=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C17H30N.C7H8.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-7-5-3-2-4-6-7;1-5(2,3)4/h2*11,13-14,16-17H,2-10,12,15H2,1H3;2-6H,1H3;(H2,1,2,3,4)/q2*+1;;/p-2